Geometry & MOs

Info

ID:	135688
PubChem CID:	51916759
Reduced:	SN3O5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	435.148201
ΔH_f, kcal/mol:	-180.23
Dipole, Da:	2.85
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)[C@H]2CCCN2C(=O)C3=CC=CS3)C

DOS

IR

Vibrations